Salamat, A;
Deifallah, M;
Cabrera, RQ;
Corà, F;
McMillan, PF;
(2013)
Identification of new pillared-layered carbon nitride materials at high pressure.
Scientific Reports
, 3
, Article 2122. 10.1038/srep02122.
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Abstract
The compression of the layered carbon nitride C6N9H3·HCl was studied experimentally and with density functional theory (DFT) methods. This material has a polytriazine imide structure with Cl(-) ions contained within C12N12 voids in the layers. The data indicate the onset of layer buckling accompanied by movement of the Cl(-) ions out of the planes beginning above 10-20 GPa followed by an abrupt change in the diffraction pattern and c axis spacing associated with formation of a new interlayer bonded phase. The transition pressure is calculated to be 47 GPa for the ideal structures. The new material has mixed sp(2)-sp(3) hybridization among the C and N atoms and it provides the first example of a pillared-layered carbon nitride material that combines the functional properties of the graphitic-like form with improved mechanical strength. Similar behavior is predicted to occur for Cl-free structures at lower pressures.
Type: | Article |
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Title: | Identification of new pillared-layered carbon nitride materials at high pressure |
Location: | England |
Open access status: | An open access version is available from UCL Discovery |
DOI: | 10.1038/srep02122 |
Publisher version: | http://dx.doi.org/10.1038/srep02122 |
Language: | English |
Additional information: | © 2013 Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved. This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/ PMCID: PMC3698513 |
UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
URI: | https://discovery.ucl.ac.uk/id/eprint/1399590 |
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